N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

C12H19N5OS — CID 56825555

IUPACN,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCc1cc(CSc2nnc(N(C)C)n2C(C)C)on1
InChIInChI=1S/C12H19N5OS/c1-8(2)17-11(16(4)5)13-14-12(17)19-7-10-6-9(3)15-18-10/h6,8H,7H2,1-5H3
InChIKeyNMMYJNKZRSNJFJ-UHFFFAOYSA-N
MW281.39 g/mol
LogP2.51
Rot. Bonds5

About N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 56825555) has the molecular formula C12H19N5OS and a molecular weight of 281.39 g/mol. Its IUPAC name is N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID56825555
Molecular FormulaC12H19N5OS
Molecular Weight281.39 g/mol
Exact Mass281.13
IUPAC NameN,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCc1cc(CSc2nnc(N(C)C)n2C(C)C)on1
InChIInChI=1S/C12H19N5OS/c1-8(2)17-11(16(4)5)13-14-12(17)19-7-10-6-9(3)15-18-10/h6,8H,7H2,1-5H3
InChIKeyNMMYJNKZRSNJFJ-UHFFFAOYSA-N
XLogP2.51
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (CID 56825555) is N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is Cc1cc(CSc2nnc(N(C)C)n2C(C)C)on1.
What is the InChIKey of N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is NMMYJNKZRSNJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-8(2)17-11(16(4)5)13-14-12(17)19-7-10-6-9(3)15-18-10/h6,8H,7H2,1-5H3.
What are the key properties of N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 281.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 56825555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).